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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[(2,5-dimethoxyphenyl)methylene]-2-heptyl-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID HW5Eq62Bcqn
InChI InChI=1S/C21H26N4O3S/c1-4-5-6-7-8-9-18-24-25-19(22)16(20(26)23-21(25)29-18)13-14-12-15(27-2)10-11-17(14)28-3/h10-13,22H,4-9H2,1-3H3/b16-13-,22-19?
InChIKey ZHEJRUJMMDDULT-ZXPXUXNTSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InOSPmTJODS
Name (6Z)-5-azanylidene-6-[(2,5-dimethoxyphenyl)methylidene]-2-heptyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N4O3S
InChI InChI=1S/C21H26N4O3S/c1-4-5-6-7-8-9-18-24-25-19(22)16(20(26)23-21(25)29-18)13-14-12-15(27-2)10-11-17(14)28-3/h10-13,22H,4-9H2,1-3H3/b16-13-,22-19?
InChIKey ZHEJRUJMMDDULT-ZXPXUXNTSA-N
Molecular Weight 414.524 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCCCCCC)S2)=C\c1c(ccc(c1)OC)OC
SPLASH splash10-05mo-8941000000-01352a21680d7e1eccaa
Synonyms (6Z)-6-(2,5-dimethoxybenzylidene)-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(2,5-dimethoxyphenyl)methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(2,5-dimethoxyphenyl)methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453442